N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide

C12H19N5O2 — CID 104672038

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C/C(N)=N/O)C(C)C)c(C)nn1
InChIInChI=1S/C12H19N5O2/c1-7(2)17(6-11(13)16-19)12(18)10-5-8(3)14-15-9(10)4/h5,7,19H,6H2,1-4H3,(H2,13,16)
InChIKeyHVNUUUCUYLVJNF-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.69
Rot. Bonds4

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 104672038) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
PubChem CID104672038
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C/C(N)=N/O)C(C)C)c(C)nn1
InChIInChI=1S/C12H19N5O2/c1-7(2)17(6-11(13)16-19)12(18)10-5-8(3)14-15-9(10)4/h5,7,19H,6H2,1-4H3,(H2,13,16)
InChIKeyHVNUUUCUYLVJNF-UHFFFAOYSA-N
XLogP0.69
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104668867
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671942
N-(2-amino-2-hydroxyiminoethyl)-3-chloro-N-propan-2-ylpyridine-4-carboxamide
CID 77135187
N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
CID 77056038
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104672040
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 77044882
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
CID 107356587
N-(2-amino-2-hydroxyiminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79731686

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide (CID 104672038) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide is Cc1cc(C(=O)N(C/C(N)=N/O)C(C)C)c(C)nn1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is HVNUUUCUYLVJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(2)17(6-11(13)16-19)12(18)10-5-8(3)14-15-9(10)4/h5,7,19H,6H2,1-4H3,(H2,13,16).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 104672038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).